TRAJAN: A tool with which analyze trajectories from molecular simulations

A 500-ps molecular dynamics simulation t

A 500-ps molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: Correlation with NMR and X-ray crystallography data

✍ Sun, Ying-Chieh; Yang, Shu-Fen; Hwang, I-Lung; Wu, Tzu-Hsien 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 416 KB 👁 2 views

Molecular dynamics simulation of a small, basic, all ␤-sheet cardiotoxin, CTX II, from Taiwan cobra venom, with proper treatment of long-range electrostatic interactions, was carried out to examine the backbone mobility of CTX II in solution and aid in interpretation of order parameters of C -H bond